UCSF

ZINC08566817

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 37 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.37 4.52 -66.92 2 10 -1 134 508.551 11
Mid Mid (pH 6-8) 0.79 -3.4 -63.35 3 10 1 129 510.567 11
Mid Mid (pH 6-8) 1.37 6.86 -86.67 3 10 0 136 509.559 11

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )